N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide

C21H26N2O3 — CID 108968533

IUPACN-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-13-11-14(2)18(15(3)12-13)23-20(25)21(4,5)19(24)22-16-7-9-17(26-6)10-8-16/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyJWMRBKGPTHBMTL-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.22
Rot. Bonds5

About N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide

N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide (PubChem CID 108968533) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
PubChem CID108968533
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-13-11-14(2)18(15(3)12-13)23-20(25)21(4,5)19(24)22-16-7-9-17(26-6)10-8-16/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyJWMRBKGPTHBMTL-UHFFFAOYSA-N
XLogP4.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-methoxyphenyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109057390
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
N-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108968527
3-N-(4-methoxyphenyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109108631
N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967996
N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108957499
2-[(4-methoxyphenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51226266
N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968862
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108965125

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
The IUPAC name of N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide (CID 108968533) is N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide is COc1ccc(NC(=O)C(C)(C)C(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
The InChIKey is JWMRBKGPTHBMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-13-11-14(2)18(15(3)12-13)23-20(25)21(4,5)19(24)22-16-7-9-17(26-6)10-8-16/h7-12H,1-6H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide has a molecular weight of 354.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide is sourced from PubChem (CID 108968533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).